Compound Detail
CHEMBL2042160
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CC1=C(C(=O)N2CCC[C@H]2c2cc(C)no2)[C@@H](c2nc3ccccc3s2)n2nc(C(F)(F)F)cc2N1
Basic Information
| ChEMBL ID | CHEMBL2042160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPMSRRZNQUYLOP-BTYIYWSLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
514.5
MW (Da)
5.46
ALogP
8
HBA
1
HBD
89.1
PSA (Ų)
0.39
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 5 CHEMBL4306 | IC50 | 6.55 | 6.55 | 281.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 5 | IC50 | = | 281.0 | nM | 6.55 | Inhibition of human KV1.5 ion channel expressed in mouse L929 cells by whole cel... | 22409629 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22409629 | 10.1021/jm201386u | Potassium voltage-gated channel subfamily A member 5 | 1 |
| 22409629 | 10.1021/jm201386u | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine